MANF simulation with amber99SBws (5 replicas)

MD simulations of MANF with amber99SBws force field. Five replicas from different starting structures from taken from RCSB PDB: 2RQY (model 1, 2, 4, 6 and 8). Simulations were run wtih 20 mM NaCl at 310 K. The trajectory has a saving frequency of 10 ps.基于amber99SBws力场的中脑星形胶质细胞源性神经营养因子（Mesencephalic Astrocyte-derived Neurotrophic Factor, MANF）分子动力学（Molecular Dynamics, MD）模拟。模拟初始结构取自美国结构生物信息学联合研究室蛋白质数据库（Research Collaboratory for Structural Bioinformatics Protein Data Bank, RCSB PDB）编号2RQY的5个不同模型（模型1、2、4、6及8），共设置5组重复模拟。所有模拟均在310 K温度、20 mM氯化钠（NaCl）溶液环境下运行，轨迹文件的保存频率为10皮秒（ps）。